SCHEMBL14877673

SCHEMBL14877673

CCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@@H](C)NCl)C4CC4)cc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 3/20 0.36
KDM4E B2RXH2 8/20 0.35
HSD17B10 Q99714 6/20 0.35
HPGD P15428 5/20 0.35
USP2 O75604 3/20 0.35
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRB2 P47870 1/20 0.34
POLB P06746 5/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14877610 1.00 MAPT (0.36) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL13928179 0.91 MAPT (0.35) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL13928178 0.91 MAPT (0.35) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL13928180 0.90 MAPT (0.33) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL13928177 0.90 MAPT (0.33) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL13950821 0.88 MAPT (0.34) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL13928164 0.87 MAPT (0.39) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL3251345 0.87 KDM4E (0.38) MAPTLMNATP53KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3254799 0.87 MAPT (0.38) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL13950882 0.85 KDM4E (0.38) MAPTLMNATP53KDM4EHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed